| SpectraBase Compound ID | C0cLx9b27sA |
|---|---|
| InChI | InChI=1S/C39H58O4/c1-35(2)29-15-11-26-24-37(5)21-18-30-36(3,4)33(43-34(42)17-10-25-8-12-27(40)13-9-25)20-23-39(30,7)31(37)16-14-28(26)38(29,6)22-19-32(35)41/h8-9,11-13,28-33,40-41H,10,14-24H2,1-7H3/t28-,29-,30?,31?,32-,33-,37-,38+,39-/m0/s1 |
| InChIKey | ORFINALVPBBSTR-IKSLNRENSA-N |
| Mol Weight | 590.9 g/mol |
| Molecular Formula | C39H58O4 |
| Exact Mass | 590.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ftr7IhCYVd |
|---|---|
| Name | 21-ALPHA-HYDROXYSERRAT-14-EN-3-BETA-YL-PARA-DIHYDROCOUMARATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58O4 |
| InChI | InChI=1S/C39H58O4/c1-35(2)29-15-11-26-24-37(5)21-18-30-36(3,4)33(43-34(42)17-10-25-8-12-27(40)13-9-25)20-23-39(30,7)31(37)16-14-28(26)38(29,6)22-19-32(35)41/h8-9,11-13,28-33,40-41H,10,14-24H2,1-7H3/t28-,29-,30?,31?,32-,33-,37-,38+,39-/m0/s1 |
| InChIKey | ORFINALVPBBSTR-IKSLNRENSA-N |
| Literature Reference Author | H.ZHOU,C.H.TAN,S.H.JIANG,D.Y.ZHU |
| Literature Reference Citation | J.NAT.PROD.,66,1328(2003) |
| Literature Reference DOI | 10.1021/np0301590 |
| Molecular Weight | 590.887 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP1099 |